2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C31H32FN7O3S — CID 150773652

IUPAC2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CC4(CN(C(=O)C5COCC5O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32FN7O3S/c1-4-23-28(36(3)30-34-27(26(11-33)43-30)19-5-7-20(32)8-6-19)24-10-21(9-18(2)39(24)35-23)37-14-31(15-37)16-38(17-31)29(41)22-12-42-13-25(22)40/h5-10,22,25,40H,4,12-17H2,1-3H3
InChIKeyKAJXSRBCHLQLNG-UHFFFAOYSA-N
MW601.71 g/mol
LogP3.76
Rot. Bonds6

About 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 150773652) has the molecular formula C31H32FN7O3S and a molecular weight of 601.71 g/mol. Its IUPAC name is 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID150773652
Molecular FormulaC31H32FN7O3S
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CC4(CN(C(=O)C5COCC5O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32FN7O3S/c1-4-23-28(36(3)30-34-27(26(11-33)43-30)19-5-7-20(32)8-6-19)24-10-21(9-18(2)39(24)35-23)37-14-31(15-37)16-38(17-31)29(41)22-12-42-13-25(22)40/h5-10,22,25,40H,4,12-17H2,1-3H3
InChIKeyKAJXSRBCHLQLNG-UHFFFAOYSA-N
XLogP3.76
TPSA110.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 150773652) is 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CC4(CN(C(=O)C5COCC5O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is KAJXSRBCHLQLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O3S/c1-4-23-28(36(3)30-34-27(26(11-33)43-30)19-5-7-20(32)8-6-19)24-10-21(9-18(2)39(24)35-23)37-14-31(15-37)16-38(17-31)29(41)22-12-42-13-25(22)40/h5-10,22,25,40H,4,12-17H2,1-3H3.
What are the key properties of 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 601.71 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-5-[2-(4-hydroxyoxolane-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 150773652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).